CID 141277

2,5-dimethyl-3,4-diphenylcyclopentadienone

Structural Information

Molecular Formula
C19H16O
SMILES
CC1=C(C(=C(C1=O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H16O/c1-13-17(15-9-5-3-6-10-15)18(14(2)19(13)20)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKey
SOXYIWTUKPMWCG-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3,4-diphenylcyclopenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

260.12012 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12740 159.3
[M+Na]+ 283.10934 169.1
[M-H]- 259.11284 170.2
[M+NH4]+ 278.15394 178.2
[M+K]+ 299.08328 163.6
[M+H-H2O]+ 243.11738 151.9
[M+HCOO]- 305.11832 184.7
[M+CH3COO]- 319.13397 173.1
[M+Na-2H]- 281.09479 161.6
[M]+ 260.11957 160.7
[M]- 260.12067 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe